ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate

C18H19N5O3S — CID 2740655

IUPACethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C
InChIInChI=1S/C18H19N5O3S/c1-5-26-18(25)15-10(2)21-23(12(15)4)14-8-6-13(7-9-14)19-17(24)16-11(3)20-22-27-16/h6-9H,5H2,1-4H3,(H,19,24)
InChIKeyYHGKPBUZAXCZMU-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.08
Rot. Bonds5

About ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate

ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate (PubChem CID 2740655) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
PubChem CID2740655
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Nameethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C
InChIInChI=1S/C18H19N5O3S/c1-5-26-18(25)15-10(2)21-23(12(15)4)14-8-6-13(7-9-14)19-17(24)16-11(3)20-22-27-16/h6-9H,5H2,1-4H3,(H,19,24)
InChIKeyYHGKPBUZAXCZMU-UHFFFAOYSA-N
XLogP3.08
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate (CID 2740655) is ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(NC(=O)c3snnc3C)cc2)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The InChIKey is YHGKPBUZAXCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-5-26-18(25)15-10(2)21-23(12(15)4)14-8-6-13(7-9-14)19-17(24)16-11(3)20-22-27-16/h6-9H,5H2,1-4H3,(H,19,24).
What are the key properties of ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 2740655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).